4-Amino-3-cyano-2-oxo-1,2-dihydrobenzofuro<3,2-b>pyridine | 78993-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-Amino-3-cyano-2-oxo-1,2-dihydrobenzofuro<3,2-b>pyridine
• 英文别名: 4-amino-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
• CAS: 78993-57-4
• 化学式: C₁₂H₇N₃O₂
• 分子量: 225.206
• InChiKey: XYZITGYHXCINEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-1-苯甲呋喃-2-甲腈 、 氰乙酸乙酯 在 sodium ethanolate 作用下， 生成 4-Amino-3-cyano-2-oxo-1,2-dihydrobenzofuro<3,2-b>pyridine
  参考文献：
  名称：

  Vaidya, V. P.; Mahajan, S. B.; Agasimundin, Y. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 5, p. 391 - 393

  摘要：

  DOI：

文献信息

• VAIDYA, V. P.;MAHAJAN, S. B.;AGASIMUNDIN, Y. S., INDIAN J. CHEM., 1981, 20, N 5, 391-393
  作者：VAIDYA, V. P.、MAHAJAN, S. B.、AGASIMUNDIN, Y. S.

  DOI：——

  日期：——
• 4-SUBSTITUTED-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES
  申请人：Kesteleyn Rudolf Romanie Bart

  公开号：US20070213320A1

  公开（公告）日：2007-09-13

  4-substituted 1,5-dihydro-pyrido[3,2-b]indol-2-ones of formula (I): the N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof, wherein n is 1, 2 or 3; R 1 is hydrogen, cyano, halo, substituted carbonyl, methanimidamidyl, N-hydroxy-methanimidamidyl, mono- or di(C 1-4 alkyl)methanimidamidyl, Het 1 or Het 2 ; X is NR 2 , O, S, SO, SO 2 ; R 2 is hydrogen, C 1-10 alkyl, C 2-10 alkenyl, C 3-7 cycloalkyl, which are optionally substituted; R 2 is aryl substituted with —COOR 4 ; or R 2 is: —C p H 2p —CH(OR 14 )—C q H 2q —R 15 (b-3); —CH 2 —CH 2 —(O—CH 2 —CH 2 ) m —OR 14 (b-4); —CH 2 —CH 2 —(O—CH 2 —CH 2 ) m —NR 5a R 5b (b-5); -a 1 =a 2 -a 3 =a 4 - is —CH═CH—CH═CH—; —N═CH—CH═CH—; —CH═N—CH═CH—; —CH═CH—N═CH—; —CH═CH—CH═N—; wherein hydrogen atoms in (c-1)-(c-5) may be replaced by certain radicals; R 3 is optionally substituted phenyl or a monocyclic or bicyclic aromatic heterocyclic ring system that can be substituted; R 21 is halo, hydroxy, amino, carboxyl, C 1-6 alkyl, C 3-7 cycloalkyl, arylC 1-6 alkyl, formyl, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyloxy, —C(═O)—NR 13 R 14 ; C 1-6 alkyloxy, arylC 1-6 alkyloxy, polyhaloC 1-6 alkyloxy, amino, mono or di(C 1-6 alkyl)amino, formylamino, C 1-6 alkylcarbonylamino, C 1-6 alkylsulfonylamino, mercapto, C 1-6 alkylthio, arylthio, aryloxy, arylC 1-6 alkylthio, C 1-6 alkylsulfynyl, C 1-6 alkylsulfonyl, aryl, arylamino, Het 1 , Het 2 .
• US7622582B2
  申请人：——

  公开号：US7622582B2

  公开（公告）日：2009-11-24
• Vaidya, V. P.; Mahajan, S. B.; Agasimundin, Y. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 5, p. 391 - 393
  作者：Vaidya, V. P.、Mahajan, S. B.、Agasimundin, Y. S.

  DOI：——

  日期：——